SCHEMBL1584773

SCHEMBL1584773

O=c1ccn(O)c(=O)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
GSK3A P49840 4/20 0.47
GSK3B P49841 4/20 0.47
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
P2RX4 Q99571 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
RGS4 P49798 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5800712 0.80 HPGD (0.49) HPGDGSK3AGSK3BKMT2ASMN1; SMN2
SCHEMBL7466508 0.79 HPGD (0.55) HPGDGSK3AGSK3BKMT2ASMN1; SMN2
SCHEMBL7750738 0.79 HPGD (0.51) HPGDGSK3AGSK3BKMT2ASMN1; SMN2
SCHEMBL30272686 0.77 HPGD (0.50) HPGDGSK3AGSK3BKMT2ASMN1; SMN2
SCHEMBL8985073 0.76 GSK3B (0.67) HPGDGSK3AGSK3BKMT2ASMN1; SMN2
SCHEMBL7519636 0.75 KMT2A (0.52) HPGDGSK3AGSK3BKMT2ACYP3A4
SCHEMBL10077158 0.74 KDM4E (0.47) GSK3AGSK3BKMT2ASMN1; SMN2KDM4E
SCHEMBL5482630 0.72 HPGD (0.49) HPGDGSK3AGSK3BKMT2ACYP3A4
SCHEMBL25827018 0.69 HPGD (0.57) HPGDGSK3AGSK3BKMT2ASMN1; SMN2
SCHEMBL14229126 0.69 CCR2 (0.58) HPGDGSK3AGSK3BKMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016079502-A1 METAL CHELATING COMPOUNDS FOR USE IN TREATING DISEASES UNIVERSITY OF NORTHUMBRIA (GB) 2016-05-26 WO disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 US disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 US disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 US disclosed
US-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-27 US disclosed
US-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-27 US disclosed
WO-2012088283-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES BAYLOR COLLEGE OF MEDICINE (US) 2012-06-28 WO disclosed
WO-2011046920-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2011-04-21 WO disclosed
WO-2011046920-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2011-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR HPGD 1165/4885GSK3A 4546/4885GSK3B 4387/4885
US-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, MGAM2, BPGM HPGD 1211/4885GSK3A 624/4885GSK3B 536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.